20834598
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6.4347
2.866
2.866
3.732
4.5981
2.866
2.866
4.5981
3.732
3.732
3.732
3.732
3.732
2
5.4641
2.866
4.5981
2.866
4.5981
6.3301
3.732
2
3.732
2.866
7.2437
7.9128
7.4128
2.2554
2.654
4.269
5.135
5.4641
4.269
1.4631
2.3291
5.135
2.3291
5.135
4.269
1.4631
3.112
3.732
4.352
2.866
7.3726
8.5294
7.665
-0.7445
0.25
-0.75
1.75
-0.75
2.25
3.25
0.25
-2.25
0.75
-1.25
-4.25
3.75
3.75
0.75
-2.75
-2.75
-3.75
-3.75
0.25
4.75
4.75
-5.25
5.25
0.6567
-0.0864
-0.9524
2.3577
1.6674
2.06
-1.06
1.37
3.44
3.44
-2.44
-2.44
-4.06
-4.06
5.06
5.06
-5.25
-5.87
-5.25
5.87
1.2632
-0.0216
-1.5188
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
532
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B300000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320482C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4C61188A9C79888008E40000000000000008000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(benzylcarbamoyl)-2-(2-furyl)vinyl]-4-methyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(2-furanyl)-3-oxo-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-methylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-3-(benzylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(furan-2-yl)-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-en-2-yl]-4-methyl-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(Z)-1-(benzylcarbamoyl)-2-(2-furyl)vinyl]-4-methyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H20N2O3/c1-16-9-11-18(12-10-16)21(25)24-20(14-19-8-5-13-27-19)22(26)23-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,26)(H,24,25)/b20-14-
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
LERGEFLTWMIBSK-ZHZULCJRSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
360.147393
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H20N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
360.4058
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CO2)/C(=O)NCC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
360.147393
27
0
0
0
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1
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10